Marie-Christine Record
Centre national de la recherche scientifique
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Publication
Featured researches published by Marie-Christine Record.
Journal of Chemical Physics | 2011
Pascal Boulet; Marie-Christine Record
The electronic and transport properties of Mg(2)Si are calculated using the density-functional and semi-classical Boltzmann transport theories. A detailed comparison of the efficiency of the Perdew, Burke, and Ernzerhof (PBE) and the modified Becke-Johnson (m-BJ) exchange potentials on the prediction of these properties is presented. We show that the m-BJ potential is able to predict the Mg(2)Si thermoelectric properties with better agreement with the experimental data than the PBE potential. These findings are correlated with a small modification of the valence orbitals of the materials and the opening of the gap.
Journal of Physical Chemistry C | 2014
Hilal Balout; Pascal Boulet; Marie-Christine Record
Calphad-computer Coupling of Phase Diagrams and Thermochemistry | 2007
A.E. Gheribi; J. Rogez; F. Marinelli; J.C. Mathieu; Marie-Christine Record
Applied Surface Science | 2012
Lyacine Aloui; Thomas Duguet; Fanta Haidara; Marie-Christine Record; Diane Samélor; François Senocq; D. Mangelinck; Constantin Vahlas
Solid State Sciences | 2010
Pascal Boulet; Marie-Christine Record
Journal of Physical Chemistry C | 2015
Hilal Balout; Pascal Boulet; Marie-Christine Record
Intermetallics | 2018
Wei Liu; Xiao-Gang Lu; Pascal Boulet; Marie-Christine Record
Journal of Thermal Analysis and Calorimetry | 2011
A. Derafa; Marie-Christine Record; D. Mangelinck; R. Halimi; A. Bouabellou
Computational Materials Science | 2018
Wei Liu; Xiao-Gang Lu; Pascal Boulet; Marie-Christine Record
Archive | 2014
Aleš Kroupa; Jan Vřešťál; Pascal Boulet; Alan Dinsdale; Andy Watson; Marie-Christine Record
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